| SpectraBase Compound ID | 1SKEKtIHHln |
|---|---|
| InChI | InChI=1S/C21H35NO3/c1-6-24-21(23)20(22-13-11-16(2)3)15-18-7-9-19(10-8-18)25-14-12-17(4)5/h7-10,16-17,20,22H,6,11-15H2,1-5H3 |
| InChIKey | FZCUSYPULCCEKT-UHFFFAOYSA-N |
| Mol Weight | 349.5 g/mol |
| Molecular Formula | C21H35NO3 |
| Exact Mass | 349.261694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52TtM1rdaBg |
|---|---|
| Name | L-Tyrosine, N,o-di(3-methylbutyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.261693988 u |
| Formula | C21H35NO3 |
| InChI | InChI=1S/C21H35NO3/c1-6-24-21(23)20(22-13-11-16(2)3)15-18-7-9-19(10-8-18)25-14-12-17(4)5/h7-10,16-17,20,22H,6,11-15H2,1-5H3 |
| InChIKey | FZCUSYPULCCEKT-UHFFFAOYSA-N |
| Molecular Weight | 349.515 g/mol |
| SMILES | C1(=CC=C(C=C1)OCCC(C)C)CC(C(=O)OCC)NCCC(C)C |